SCHEMBL8993811

SCHEMBL8993811

N#Cc1ccc(CC(=O)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.53
LOXL2 Q9Y4K0 2/20 0.50
MAPK8 P45983 1/20 0.49
IDO1 P14902 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
HTT P42858 1/20 0.46
CYP2A6 P11509 1/20 0.45
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
GSK3B P49841 1/20 0.43
EPHX1 P07099 1/20 0.42
CYP19A1 P11511 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4703302 0.84 CA2 (0.57) CTBP2LOXL2MAPK8IDO1CA2
SCHEMBL6670974 0.82 CTBP2 (0.64) CTBP2LOXL2CA1CA2SAE1
SCHEMBL21169978 0.81 IDO1 (0.54) CTBP2LOXL2MAPK8IDO1CA1
SCHEMBL6937899 0.79 CTBP2 (0.59) CTBP2LOXL2MAPK8IDO1CA1
SCHEMBL6564262 0.78 CTBP2 (0.58) CTBP2LOXL2MAPK8IDO1CA1
SCHEMBL335492 0.78 CTBP2 (0.62) CTBP2LOXL2CA1CA2SAE1
Hydrochloric Acid SCHEMBL7981327 0.76 CTBP2 (0.61) CTBP2LOXL2CA1CA2SAE1
SCHEMBL10718749 0.76 CTBP2 (0.56) CTBP2LOXL2MAPK8IDO1CA1
SCHEMBL2649430 0.76 CTBP2 (0.56) CTBP2LOXL2MAPK8IDO1CA1
SCHEMBL2701963 0.76 IDO1 (0.61) CTBP2LOXL2MAPK8IDO1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed